科技资讯
2016  NO.22SCIENCE & TECHNOLOGY INFORMATION 科技报告导读177 科技资讯 SCIENCE & TECHNOLOGY INFORMATION By investigating their structure-property relationship, we constructed several series of supramolecular systems. ①We utilized single molecular force spectroscopy to evaluate the strength of intramolecular hydrogen bonding; ②By making use of ion pair recognition, we constructed a new kind of alternately arranged chiral supramolecular copolylmers from two aromatic amide-linked UPy ditopic monomers.③We designed and prepared two macrocycles which contained amide and 1,2,3-triazole segments. By investigating their binding toward diamide and triiodide guests, we evaluated the relative strength of intermolecular hydrogen bonding. (4) We also made progresses in the area of coordination self-assembly.①We succeeded in preparing new coordination macrocycles which contained azaheterocyclic carbine units and found that the azaheterocyclic carbenes could coordinate to Cu(II), Ag (I) or Au (III) to form coordination macrocycles that contained different pyridine rings;②We also investigated the mechanism of the formation of the above coordination macrocycles and found that the N atoms of pyridines incorporated in the macrocycles might bind to multiple metal ions to form separated entities of high stability. (5)We constructed a new series of single molecular tubes by attaching phenylalanine peptide chains to a pillar[n]arene backbone.In this way, we could extend the len
gth of the pillararene tube and thus insert the tube to lipid bilayers to form a single molecular channel for transporting amino acids that exhibited chiral selectivity.
Key Words : Self-assembly; Multi-level; Hydrogen bond; Coordination; Artificial channel
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团簇及表面反应动力学研究
周鸣飞1 李隽2 傅强3 李微雪3 何圣贵4
（1.复旦大学；2.清华大学；3.中科院大连化学物理研究所；4.中科院化学所）
摘 要：在许多能源相关的化学过程中，化学反应是在具有催化功能的界面或者团簇分子表面上发生的。要弄清团簇和催化表面的反应机理，在原子分子层次上研究团簇以及表面相关的化学反应过程是非常必要的。该研究目标是建立质谱与红外光解离光谱以及光电子能谱相结合的实验研究方法，通过对选质量金属及金属氧化物等团簇的气相反应动力学研究，获得团簇反应的尺寸效应、价态、几何和电子结构等对反应活性和机理的影响，阐明团簇反应的机理和规律；发展和利用表面光电子能谱和光电子显微镜技术，结合第一性理论计算方法和分子动力学模拟等理论方法，通过对金属氧化物表面的几何结构和电子结构以及表面团簇反应的研究，获得表面反应的机理和动力学。该研究选质量过渡金属氧化物团簇的光
谱和结构研究。利用质谱、红外光解离光谱等实验方法获得选质量团簇的振动光谱等信息，结合理论计算，获得团簇的结构和成键特性。设计并建立基于质谱和红外光解离光谱联用技术的选质量团簇与小分子反应的实验装置。通过对不同大小的金属氧化物团簇的研究，获得团簇尺寸对其结构、稳定性和成键特性的影响等。在表面反应动力学实验研究方面，开展了氧化物/金属反转催化体系表面结构及反应的动态研究。
关键词：反应动力学 团簇 表面
Reaction Dynamics of Cluster and Surface
Zhou Mingfei 1 Li Jun 2 Fu Qiang 3 Li Weixue 3 He Shenggui 4
(1.Fudan University; 2.Tsinghua University; 3.Dalian Institute of Chemical Physics, Chinese Academy of Sciences;
4.Institute of Chemistry Chinese Academy of Sciences)
Abstract : In many energy related chemical processes, chemical reactions take place on the clusters or surfaces. The researches on the chemical reaction processes of clusters or surface at atomic or molecular levels are very important. The purpose of project
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科技资讯2016  NO.22
SCIENCE & TECHNOLOGY INFORMATION 科技报告导读178科技资讯 SCIENCE & TECHNOLOGY INFORMATION is to study the reaction dynamics of clusters and surfaces. The mass spectroscopy combined with infrared photodissociation techniques or photoelectron spectroscopy methods will be used to study the structures and reaction dynamics of transition metal or metal oxides clusters. The effects of size effect, valency, geometry and electronic structures of different clusters on the reaction activities and mechanisms will be studied. The XPS and STM methods, combined with the first-principles calculations and molecular dynamics simulations, will be used to study the surface structures and reactions. This year, we have got some results of the structure and spectrum of clusters, and the equipment used to study the reactions of mass-selected clusters and small molecules has been designed. The surface structures of reversible transition metal oxides/metal catalyst system and its reaction dynamics are studied.
Key Words : Reaction dynamics; Cluster; surface
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大亚湾中微子实验的物理研究之专题六
（能量刻度研究)年度报告
刘江来1 阮锡超2 李高嵩1 顾文强1 黄瀚雄2
(1.上海交通大学；2.中国原子能科学研究院)
摘 要：该研究对2013年取得的进展进行了总结，包含刻度系统运行、工作情况，数据质量监控自动化进展，以及对2012年的刻度数据分析结果和物理意义。关键词：中微子 能量刻度 非线性Physics Studies of The Daya Bay Neutrino Experiment,
Working Group #6 (“Energy Calibration Studies”)reaction研究
2013 Annual Report
Liu Jianglai 1 Ruan Xichao 2 Li Gaosong 1 Gu Wenqiang 1 Huang Hanxiong 2
(1.Shanghai Jiao Tong University; 2.China Institute of Atomic Energy)
Abstract : We summarize the annual progress in Working Group #6 (Energy Calibration Studies) of the
Daya Bay Neutrino Experiment, including performance of the calibration system, progress in automating the data quality control, as well as detailed analysis results using the calibration data taken in 2012.
Key Words : Neutrino; Energy calibration; Nonlinearity
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